The problem of modeling interatomic potentials from data has the main particularity that data comes in the form of atomic configuration snapshots. Each configuration describes the positions of the atoms, its energy and optionally other properties (forces, stresses). Canonically, these data snapshots are generated by molecular dynamics simulation packages such as LAMMPS [1]} or VASP [2]} and come in specific formats, see e.g. POSCARhttps://www.vasp.at/wiki/index.php/POSCAR.
